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Compound Detail

CHEMBL70580

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CCC(OC)(c1nccs1)c1ccccc1OCc1ccc2ccccc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL70580
Phase Preclinical
Structure Type MOL
InChI Key MDYVWOZHCSEKKE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

389.5
MW (Da)
6.18
ALogP
4
HBA
0
HBD
31.4
PSA (Ų)
0.38
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H23NO2S
MW 389.52
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -0.38

Literature References

PubMed DOI Target Context # Activities
1648621 10.1021/jm00111a038 Polyunsaturated fatty acid 5-lipoxygenase 1

Data from ChEMBL 36 via Core Engine